Emily Rhodes 3836049ab2 Add optional default_val parameter to GetProp() (#9242) ...

* SHARED-12256: Add test and change function.

* SHARED-12256: Update to only wrapping changes.

* SHARED-12256: Parameterize tests.

* SHARED-12256: GetPropIfPresent changes.

* Revert "SHARED-12256: GetPropIfPresent changes."

This reverts commit f598f8c161.

* SHARED-12256: Make default the keyword in the boost wrappings.

* SHARED-12256: Overload function instead of using a sentinel.

* SHARED-12256: Extend GetProp changes.

* SHARED-12256: Add entry point for tests and fix tests.

2026-05-06 06:09:11 +02:00

..

test_data

atropisomer handling added (#6903)

2023-12-22 04:58:18 +01:00

Testing/Temporary

atropisomer handling added (#6903)

2023-12-22 04:58:18 +01:00

Atom.cpp

Add optional default_val parameter to GetProp() (#9242)

2026-05-06 06:09:11 +02:00

Bond.cpp

Add optional default_val parameter to GetProp() (#9242)

2026-05-06 06:09:11 +02:00

Chirality.cpp

Store CIP-ranked anchors after CIP labeling. (#9056)

2026-01-29 18:23:44 +01:00

ChiralityOps.cpp

expose cleanupStereoGroups to python (#8515)

2025-05-11 05:08:38 +02:00

CMakeLists.txt

Add optional default_val parameter to GetProp() (#9242)

2026-05-06 06:09:11 +02:00

CompressedSDMolSupplier.cpp

Fix some more mem errors in 2024.09.1 (#7899)

2024-10-10 16:08:50 +02:00

Conformer.cpp

Add optional default_val parameter to GetProp() (#9242)

2026-05-06 06:09:11 +02:00

ContextManagers.h

Support context managers for mol Suppliers and Writers (#3704)

2021-01-11 05:52:57 +01:00

EditableMol.cpp

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-11-30 04:54:18 +01:00

ForwardSDMolSupplier.cpp

V2 API for the MolSuppliers (#7168)

2024-02-29 06:46:56 +01:00

MaeMolSupplier.cpp

V2 API for the MolSuppliers (#7168)

2024-02-29 06:46:56 +01:00

MaeWriter.cpp

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-11-30 04:54:18 +01:00

Mol.cpp

Add optional default_val parameter to GetProp() (#9242)

2026-05-06 06:09:11 +02:00

MolBundle.cpp

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

MolOps.cpp

make ringdecomposerlib a mandatory dependency (#9209)

2026-03-27 18:17:27 +01:00

MolSupplier.h

Improve MaeMolSupplier API (#6053)

2023-02-08 04:31:51 +01:00

MonomerInfo.cpp

Move some fields and methods from AtomPDBResidueInfo to base class (#8863)

2026-02-04 12:13:33 +01:00

MultithreadedMolSupplier.h

[GSoC-2020] Generalized and Multithreaded File Reader (#3363)

2020-10-09 04:31:05 +02:00

MultithreadedSDMolSupplier.cpp

remove no-op macros and dead code (pt 4) (#8037)

2025-01-26 07:49:50 +01:00

MultithreadedSmilesMolSupplier.cpp

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-11-30 04:54:18 +01:00

PDBWriter.cpp

... and more mem errors fixed (#7924)

2024-10-25 07:01:34 +02:00

props.hpp

Add optional default_val parameter to GetProp() (#9242)

2026-05-06 06:09:11 +02:00

Queries.cpp

style: apply readability-braces-around-statements (#8136)

2026-02-09 12:10:50 +01:00

rdchem.cpp

Defer numpy initialization to first use (#9127)

2026-02-23 18:42:42 +01:00

rdchem.h

Defer numpy initialization to first use (#9127)

2026-02-23 18:42:42 +01:00

rdmolfiles.cpp

fix the python docs for CanonicalRankAtomsInFragment (#9087)

2026-02-07 05:54:10 +01:00

rdmolfiles.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

rdmolops.cpp

Defer numpy initialization to first use (#9127)

2026-02-23 18:42:42 +01:00

rdmolops.h

Defer numpy initialization to first use (#9127)

2026-02-23 18:42:42 +01:00

rdqueries.cpp

Remove extra calls to python::register_exception_translator

2016-03-01 06:36:54 +01:00

rdTrajectory.cpp

- added miising Code/GraphMol/Wrap/rdTrajectory.cpp

2016-05-11 19:56:32 +01:00

ResonanceMolSupplier.cpp

Fix #7112 (#8483)

2025-04-30 16:22:45 +02:00

RingInfo.cpp

make ringdecomposerlib a mandatory dependency (#9209)

2026-03-27 18:17:27 +01:00

rough_test.py

Normalize rings (#9208)

2026-04-01 05:37:02 +02:00

SDMolSupplier.cpp

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-11-30 04:54:18 +01:00

SDWriter.cpp

... and more mem errors fixed (#7924)

2024-10-25 07:01:34 +02:00

seqs.hpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

SmilesMolSupplier.cpp

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-11-30 04:54:18 +01:00

SmilesWriter.cpp

... and more mem errors fixed (#7924)

2024-10-25 07:01:34 +02:00

StereoGroup.cpp

Update createStereoGroup to accept bond list (#8587)

2025-06-16 06:04:34 +02:00

SubstanceGroup.cpp

Add optional default_val parameter to GetProp() (#9242)

2026-05-06 06:09:11 +02:00

substructmethods.h

Allow adding custom atom and bond matcher functions for substructure searching (#8994)

2025-12-12 20:03:31 +01:00

Table.cpp

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

TDTMolSupplier.cpp

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-11-30 04:54:18 +01:00

TDTWriter.cpp

... and more mem errors fixed (#7924)

2024-10-25 07:01:34 +02:00

test_cdxml.py

Expose CDX support to FileParsers and ChemDraw to SWIG (#8681)

2025-08-29 04:39:22 +02:00

test_lazy_numpy.py

Defer numpy initialization to first use (#9127)

2026-02-23 18:42:42 +01:00

test_subset.py

Add extract mol fragment api (#8811)

2025-12-09 15:06:29 +01:00

testConformer.py

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

testGetPropDefault.py

Add optional default_val parameter to GetProp() (#9242)

2026-05-06 06:09:11 +02:00

testMultithreadedMolSupplier.py

Revert "Fixes #8644 (#8768)" (#8787)

2025-09-16 16:28:01 +02:00

testPropertyLists.py

support bond property lists in SDF (#8778)

2025-09-17 16:17:12 +02:00

testSCSR.py

Add SCSR parsing to RDKit (#8147)

2025-05-14 13:37:59 +02:00

testSGroups.py

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

testSubstructureMatch.py

Allow adding custom atom and bond matcher functions for substructure searching (#8994)

2025-12-12 20:03:31 +01:00

testThreads.py

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

testTrajectory.py

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

Trajectory.cpp

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-11-30 04:54:18 +01:00